SCHEMBL8172907

SCHEMBL8172907

CC(C)(C)[Si](OCCc1csc(Br)n1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
CYP3A4 P08684 1/20 0.33
NOS1 P29475 1/20 0.33
RAB9A P51151 2/20 0.30
SLC6A3 Q01959 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
GAA P10253 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8172914 0.87 MAPT (0.37) SMYD2SMN1; SMN2HTTCYP3A4RAB9A
SCHEMBL20680904 0.80 LMNA (0.34) SMYD2SMN1; SMN2HTTCYP3A4RAB9A
SCHEMBL20680966 0.78 LMNA (0.34) SMYD2SMN1; SMN2HTTCYP3A4RAB9A
SCHEMBL21962140 0.77 SMN1; SMN2 (0.33) SMN1; SMN2RAB9A
SCHEMBL23757058 0.76 SMYD2 (0.35) SMYD2SMN1; SMN2HTTCYP3A4SLC6A3
SCHEMBL31431749 0.76 SMYD2 (0.33) SMYD2SMN1; SMN2HTTCYP3A4
SCHEMBL31431772 0.76 SMYD2 (0.33) SMYD2SMN1; SMN2HTTCYP3A4
SCHEMBL23755691 0.75 TAAR1 (0.38) SMYD2SMN1; SMN2HTTCYP3A4SLC6A3
SCHEMBL2466725 0.74 PPARA (0.39) SMYD2SMN1; SMN2HTTCYP3A4
SCHEMBL15488120 0.74 SMYD2 (0.36) SMYD2SMN1; SMN2HTTCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658539-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis Inflammasome Research, Inc. (US) 2020-06-03 EP disclosed
WO-2019023147-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-01-31 WO disclosed
WO-2000018770-A1 PYRROLOPYRROLONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXO GROUP LIMITED (GB) 2000-04-06 WO disclosed